(2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3CCCCC3)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3CCCCC3)C

InChI

InChI=1S/C21H30N2O5S/c1-16-11-17(2)14-23(13-16)29(26,27)19-8-6-7-18(12-19)21(25)28-15-20(24)22-9-4-3-5-10-22/h6-8,12,16-17H,3-5,9-11,13-15H2,1-2H3